2-methyl-N-[2-({3-[2-(prop-2-enamido)acetamido]phenyl}amino)pyrimidin-5-yl]-5-[3-(trifluoromethyl)benzamido]benzamide - Moligand™ , Inhibitor of BLK proto-oncogene; Src family tyrosine kinase;Inhibitor of BMX non-receptor tyrosine kinase;Inhibitor of Brut, Inhibitor of BLK proto-oncogene; Src family tyrosine kinase;Inhibitor of BMX non-receptor tyrosine kinase;Inhibitor of Bruton tyrosine kinase;Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2;Inhibitor of erb-b2

CAS: M609151 Cat. No.: M609151 PubChem CID: 71556703
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
compound 38
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
M609151-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,300.90
25mg
M609151-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,714.90

$2,000.90
Save $286.00 (14.29%)
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
compound 38
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of BLK proto-oncogene; Src family tyrosine kinase;Inhibitor of BMX non-receptor tyrosine kinase;Inhibitor of Bruton tyrosine kinase;Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2;Inhibitor of erb-b2
Names and Identifiers
Canonical SmilesC=CC(=O)NCC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F
IUPAC Name2-methyl-N-[2-({3-[2-(prop-2-enamido)acetamido]phenyl}amino)pyrimidin-5-yl]-5-[3-(trifluoromethyl)benzamido]benzamide
InChIKeySMOPKEHQPPXRSH-UHFFFAOYSA-N
INCHI1S/C31H26F3N7O4/c1-3-26(42)35-17-27(43)38-21-8-5-9-22(13-21)41-30-36-15-24(16-37-30)40-29(45)25-14-23(11-10-18(25)2)39-28(44)19-6-4-7-20(12-19)31(32,33)34/h3-16H,1,17H2,2H3,(H,35,42)(H,38,43)(H,39,44)(H,40,45)(H,36,37,41)
Isomeric SMILES CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)NC3=CN=C(N=C3)NC4=CC(=CC=C4)NC(=O)CNC(=O)C=C
PubChem CID 71556703

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Aromatic anilides
Direct ParentBenzanilides
Alternative Parents N-acyl-alpha amino acids and derivatives  Alpha amino acid amides  Trifluoromethylbenzenes  o-Toluamides  Benzamides  Aniline and substituted anilines  N-arylamides  Benzoyl derivatives  Aminopyrimidines and derivatives  Acrylic acids and derivatives  Heteroaromatic compounds  Secondary carboxylic acid amides  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Amines  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzanilide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - O-toluamide - Toluamide - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - N-arylamide - Aminopyrimidine - Toluene - Pyrimidine - Acrylic acid or derivatives - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Amine - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ERBB4 Tclin Receptor tyrosine-protein kinase erbB-4 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ERBB2 Tclin Receptor tyrosine-protein kinase erbB-2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TXK Tchem Tyrosine-protein kinase TXK (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TEC Tchem Tyrosine-protein kinase Tec (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BTK Tclin Tyrosine-protein kinase BTK (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BMX Tchem Cytoplasmic tyrosine-protein kinase BMX (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BLK Tchem Tyrosine-protein kinase Blk (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ITK Tclin Tyrosine-protein kinase ITK/TSK (3699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BLK Tchem Tyrosine-protein kinase BLK (2498 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ERBB4 Tclin Receptor protein-tyrosine kinase erbB-4 (2748 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BMX Tchem Tyrosine-protein kinase BMX (1995 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BTK Tclin Tyrosine-protein kinase BTK (8973 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TXK Tchem Tyrosine-protein kinase TXK (1590 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
WSU-NHL (87 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Tec Tyrosine-protein kinase TEC (25 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Solution Calculators
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